3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine

C14H20Cl2N2 — CID 78943846

IUPAC3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1ncc(CCl)cc1Cl)C1CC1
InChIInChI=1S/C14H20Cl2N2/c1-10(2)5-6-18(12-3-4-12)14-13(16)7-11(8-15)9-17-14/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyZHBYRDQLKYYGSU-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.49
Rot. Bonds6

About 3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine

3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine (PubChem CID 78943846) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
PubChem CID78943846
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(c1ncc(CCl)cc1Cl)C1CC1
InChIInChI=1S/C14H20Cl2N2/c1-10(2)5-6-18(12-3-4-12)14-13(16)7-11(8-15)9-17-14/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyZHBYRDQLKYYGSU-UHFFFAOYSA-N
XLogP4.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 80629436
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 103583405
5-bromo-3-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943847
3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine
CID 62279711
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293030
N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55008890
3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine
CID 63390310
5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 114921107
2-[cyclopropyl-(3,5-dichloro-2-pyridinyl)amino]ethanol
CID 61146210
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 79033246
2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190605
3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 102759062

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine (CID 78943846) is 3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine is CC(C)CCN(c1ncc(CCl)cc1Cl)C1CC1.
What is the InChIKey of 3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine?
The InChIKey is ZHBYRDQLKYYGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-10(2)5-6-18(12-3-4-12)14-13(16)7-11(8-15)9-17-14/h7,9-10,12H,3-6,8H2,1-2H3.
What are the key properties of 3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine?
3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine has a molecular weight of 287.23 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 78943846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).